Glycoside
GD119951
Name:
8-hydroxy-3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,4-dihydronaphthalen-1-oneFormula:
C28H32O14Smiles:
O=C1C=C(c2ccc(O)cc2)Cc2cc(OC3OC(CO)C(O)C(O)C3O)c(C3OC(CO)C(O)C(O)C3O)c(O)c21Aglycone:
O=C1C=C(c2ccc(O)cc2)Cc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 247.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD48140
Formula: C16H12O4
Smiles:
O=C1C=C(c2ccc(O)cc2)Cc2cc(O)cc(O)c21| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
